(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate

C15H13N3O5S — CID 7899255

About (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate (PubChem CID 7899255) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate.

Molecular Properties

• Compound Name: (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate
• PubChem CID: 7899255
• Molecular Formula: C15H13N3O5S
• Molecular Weight: 347.35 g/mol
• Exact Mass: 347.06
• IUPAC Name: (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate
• SMILES: Cc1csc2nc(COC(=O)CNC(=O)c3ccco3)cc(=O)n12
• InChI: InChI=1S/C15H13N3O5S/c1-9-8-24-15-17-10(5-12(19)18(9)15)7-23-13(20)6-16-14(21)11-3-2-4-22-11/h2-5,8H,6-7H2,1H3,(H,16,21)
• InChIKey: BBRIKAXBGGZPKT-UHFFFAOYSA-N
• XLogP: 1.13
• TPSA: 102.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.35
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate?

The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate (CID 7899255) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate.

What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate?

The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate is Cc1csc2nc(COC(=O)CNC(=O)c3ccco3)cc(=O)n12.

What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate?

The InChIKey is BBRIKAXBGGZPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c1-9-8-24-15-17-10(5-12(19)18(9)15)7-23-13(20)6-16-14(21)11-3-2-4-22-11/h2-5,8H,6-7H2,1H3,(H,16,21).

What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate?

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate has a molecular weight of 347.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 7899255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).